BDBM50539763 Adagrasib::Mrtx-849::Mrtx849

SMILES CN1CCC[C@H]1COc1nc2CN(CCc2c(n1)N1CCN([C@@H](CC#N)C1)C(=O)C(F)=C)c1cccc2cccc(Cl)c12

InChI Key InChIKey=PEMUGDMSUDYLHU-ZEQRLZLVSA-N

Data  2 KI  4 IC50  1 EC50

  Tab Delimited (TSV)   2D SDfile   Computed 3D by Vconf -m prep SDfile
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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 7 hits for monomerid = 50539763   

TargetGTPase KRas(Homo sapiens (Human))
University Of California San Francisco

Curated by ChEMBL
LigandPNGBDBM50539763(Adagrasib | Mrtx-849 | Mrtx849)
Affinity DataKi:  3.70E+3nMAssay Description:Binding affinity to KRAS (unknown origin) assessed as inhibition constantMore data for this Ligand-Target Pair
In DepthDetails PubMed
TargetGTPase KRas(Homo sapiens (Human))
University Of California San Francisco

Curated by ChEMBL
LigandPNGBDBM50539763(Adagrasib | Mrtx-849 | Mrtx849)
Affinity DataKi:  3.70E+3nMAssay Description:Inhibition of recombinant KRAS G12C mutant (unknown origin) assessed as rate of inactivation by LC-MS analysisMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetGTPase KRas(Homo sapiens (Human))
University Of California San Francisco

Curated by ChEMBL
LigandPNGBDBM50539763(Adagrasib | Mrtx-849 | Mrtx849)
Affinity DataEC50:  10nMAssay Description:Inhibition of KRAS (unknown origin) dependent signal transductionMore data for this Ligand-Target Pair
In DepthDetails PubMed
TargetCDK-activating kinase assembly factor MAT1/Cyclin-H/Cyclin-dependent kinase 7(Homo sapiens (Human))
College Of Pharmacy

Curated by ChEMBL
LigandPNGBDBM50539763(Adagrasib | Mrtx-849 | Mrtx849)
Affinity DataIC50:  1.30nMAssay Description:Inhibition of CDK7/Cyclin H/MAT1 (unknown origin) in leukemia cellsMore data for this Ligand-Target Pair
In DepthDetails PubMed
TargetGTPase KRas(Homo sapiens (Human))
University Of California San Francisco

Curated by ChEMBL
LigandPNGBDBM50539763(Adagrasib | Mrtx-849 | Mrtx849)
Affinity DataIC50:  5nMAssay Description:Inhibition of KRAS G12C mutant in human MIAPaCa2 cells assessed as reduction in ERK phosphorylation incubated for 24 hrs by in-cell western methodMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetGTPase KRas(Homo sapiens (Human))
University Of California San Francisco

Curated by ChEMBL
LigandPNGBDBM50539763(Adagrasib | Mrtx-849 | Mrtx849)
Affinity DataIC50:  14nMAssay Description:Inhibition of KRAS G12C mutant in human NCI-H358 cells assessed as reduction in ERK phosphorylation incubated for 3 hrs by in-cell western methodMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetGTPase KRas(Homo sapiens (Human))
University Of California San Francisco

Curated by ChEMBL
LigandPNGBDBM50539763(Adagrasib | Mrtx-849 | Mrtx849)
Affinity DataIC50:  10nMAssay Description:Inhibition of KRAS G12C mutant in human MIA PaCa-2 cells assessed as reduction in p-ERK levelsMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed